data_AVS_bmrb_pdb_report_17952 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17952 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 26 GLN Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 17952 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 26 GLN CA 55.279 . 56.57 2.14 5.4633e-01 17952 1 1 1 1 26 GLN CB 30.556 . 29.19 1.82 4.5292e-01 17952 1 1 1 1 26 GLN CG 34.007 . 33.76 1.11 8.2391e-01 17952 1 1 1 1 26 GLN H 9.622 . 8.22 0.59 1.7489e-02 17952 1 1 1 1 26 GLN HB2 2.236 . 2.05 0.25 4.5688e-01 17952 1 1 1 1 26 GLN HB3 2.061 . 2.02 0.28 8.8358e-01 17952 1 1 1 1 26 GLN HG2 2.405 . 2.32 0.27 7.5290e-01 17952 1 1 1 1 26 GLN HG3 2.405 . 2.29 0.29 6.9170e-01 17952 1 1 1 1 26 GLN HE21 6.346 . 7.24 0.45 4.6959e-02 17952 1 1 1 1 26 GLN HE22 10.353 A 7.02 0.44 3.5913e-14 17952 1 1 1 1 26 GLN N 120.107 . 119.89 3.6 9.5193e-01 17952 1 1 1 1 26 GLN NE2 117.897 S 111.87 1.72 4.5821e-04 17952 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 26 GLN GLN 0.29 17952 1 1 1 1 26 GLN CYS 0.23 17952 1 1 1 1 26 GLN MET 0.23 17952 1 1 1 1 26 GLN LYS 0.13 17952 1 1 1 1 26 GLN GLU 0.09 17952 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17952 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 17952 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17952 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17952 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17952 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_